SCHEMBL6834136

SCHEMBL6834136

Cc1ccc(C(N)(F)F)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 1/20 0.45
CA1 P00915 1/20 0.43
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KIF11 P52732 1/20 0.35
TSHR P16473 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
ACHE P22303 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3672163 0.85 SMN1; SMN2 (0.48) SMN1; SMN2TDP1ALOX15CYP3A4TP53
SCHEMBL2748456 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TDP1ALOX15CYP3A4TP53
SCHEMBL29441420 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TDP1ALOX15CYP3A4TP53
Hydrochloric Acid SCHEMBL27738830 0.83 SMN1; SMN2 (0.50) SMN1; SMN2TDP1ALOX15CYP3A4TP53
SCHEMBL9700603 0.82 TDP1 (0.54) SMN1; SMN2TDP1ALOX15CYP3A4TP53
SCHEMBL29752043 0.81 SMN1; SMN2 (0.52) SMN1; SMN2TDP1ALOX15CYP3A4TP53
SCHEMBL1554737 0.81 SMN1; SMN2 (0.52) SMN1; SMN2TDP1ALOX15CYP3A4TP53
SCHEMBL3675942 0.80 SMN1; SMN2 (0.43) SMN1; SMN2TDP1ALOX15CYP3A4TP53
SCHEMBL28243345 0.78 SMN1; SMN2 (0.49) SMN1; SMN2TDP1ALOX15CYP3A4TP53
SCHEMBL10839049 0.77 TDP1 (0.54) SMN1; SMN2TDP1ALOX15CYP3A4TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759184-B2 FLUORINE-CONTAINING RESIST IS APPLIED TO A SUBSTRATE; AFTER EXPOSURE AND DEVELOPMENT OF THE RESIST, BONDING OF AN AMPLIFICATION AGENT CHEMICALLY AMPLIFIES THE RESIST STRUCTURES INFINEON TECHNOLOGIES AG (DE) 2004-07-06 US disclosed
US-20030073043-A1 Amplification of resist structures of fluorinated resist polymers by structural growth of the structures by targeted chemical bonding of fluorinated oligomers POLARIS INNOVATIONS LIMITED (IE) 2003-04-17 US disclosed